[QE-users] Critical temperature calculations in Quantum Espresso 7.0

Piotr Szkudlarek p.szkudlarek at cent.uw.edu.pl
Fri Mar 4 11:18:13 CET 2022


Dear Users and Developers of Quantum Espresso,
I am trying to perform a calculation of critical temperature for Al.
However, instructions on the website seem to be outdated. It tells the user
to "specify option la2f=.true. to pw.x in order to save a file with the
eigenvalues on the dense *k*-point grid". However, la2F is not implemented
in the new code. What is the solution to this problem?
Regards,
Piotr Szkudlarek,
University of Warsaw
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